Chemical Properties of 4-CF3C6H4N(CH3)2 (CAS 329-17-9)

InChI

InChI=1S/C9H10F3N/c1-13(2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3

InChI Key

MLFFPCMQWLVVLM-UHFFFAOYSA-N

Formula

C9H10F3N

SMILES

CN(C)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

189.18

CAS

329-17-9

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.34; 422.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.17900e+01
Coefficient B			1.00554e+00
Coefficient C			-7.63560e-04
Coefficient D			2.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.34	J/mol×K	273.00	Calculated Property
Cp,gas	228.24	J/mol×K	353.78	Calculated Property
Cp,gas	269.25	J/mol×K	434.56	Calculated Property
Cp,gas	304.09	J/mol×K	515.33	Calculated Property
Cp,gas	333.45	J/mol×K	596.11	Calculated Property
Cp,gas	358.04	J/mol×K	676.89	Calculated Property
Cp,gas	378.56	J/mol×K	757.67	Calculated Property
Cp,gas	395.73	J/mol×K	838.44	Calculated Property
Cp,gas	410.24	J/mol×K	919.22	Calculated Property
Cp,gas	422.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-CF3C6H4N(CH3)2.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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